Startseite Structure and vibrational spectra of copper(II) 2-pyridylmethanolate tetrahydrate
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Structure and vibrational spectra of copper(II) 2-pyridylmethanolate tetrahydrate

  • Anton Gatial EMAIL logo , Marcela Múdra , Ján Moncoľ , Marta Danková , Peter Lönnecke und Martin Breza
Veröffentlicht/Copyright: 12. März 2014
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Chemical Papers
Aus der Zeitschrift Chemical Papers Band 68 Heft 7

Abstract

In the memory of Prof. Ing. Ladislav Valko, DrSc. (1930–2013) A room-temperature synthesis of copper(II) 2-pyridylmethanolate tetrahydrate, [CuL2] · 4H2O, with nearly quantitative yields with its structure redetermined at 213 K is presented. In agreement with the X-ray structure data, the DFT quantum-chemical calculations confirmed the planar structure of CuL2 (C 2h symmetry). The measured IR and Raman spectra were interpreted using the DFT calculations and some erroneous assignments in the previous studies have been corrected.

Keywords: vibrational spectra; B3LYP calculations; structure; Cu(II) pyridylcarbinolate

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Published Online: 2014-3-12
Published in Print: 2014-7-1

© 2014 Institute of Chemistry, Slovak Academy of Sciences

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https://doi.org/10.2478/s11696-014-0539-5
Schlagwörter für diesen Artikel
vibrational spectra; B3LYP calculations; structure; Cu(II) pyridylcarbinolate

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Heruntergeladen am 27.11.2025 von https://www.degruyterbrill.com/document/doi/10.2478/s11696-014-0539-5/pdf?lang=de
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